N-cyclooctyl-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclooctyl-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclooctyl-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H28FN3O2S MolecularWeight: 453.572123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H28FN3O2S/c26-19-14-12-18(13-15-19)16-29-24(31)21-10-6-7-11-22(21)28-25(29)32-17-23(30)27-20-8-4-2-1-3-5-9-20/h6-7,10-15,20H,1-5,8-9,16-17H2,(H,27,30)